[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine

C17H17Cl2NO — CID 65407873

IUPAC[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c18-14-6-5-12(9-15(14)19)10-17(11-20)7-8-21-16-4-2-1-3-13(16)17/h1-6,9H,7-8,10-11,20H2
InChIKeyYSTYKSZBQHNNTN-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.22
Rot. Bonds3

About [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine

[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 65407873) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
PubChem CID65407873
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c18-14-6-5-12(9-15(14)19)10-17(11-20)7-8-21-16-4-2-1-3-13(16)17/h1-6,9H,7-8,10-11,20H2
InChIKeyYSTYKSZBQHNNTN-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine (CID 65407873) is [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine is NCC1(Cc2ccc(Cl)c(Cl)c2)CCOc2ccccc21.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is YSTYKSZBQHNNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-14-6-5-12(9-15(14)19)10-17(11-20)7-8-21-16-4-2-1-3-13(16)17/h1-6,9H,7-8,10-11,20H2.
What are the key properties of [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 322.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 65407873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).